N-[(E)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxyaniline

C26H30N2O3 — CID 110508917

IUPACN-[(E)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxyaniline
SMILESCOc1ccc(N/N=C/c2ccc(OCc3ccc(C(C)(C)C)cc3)c(OC)c2)cc1
InChIInChI=1S/C26H30N2O3/c1-26(2,3)21-9-6-19(7-10-21)18-31-24-15-8-20(16-25(24)30-5)17-27-28-22-11-13-23(29-4)14-12-22/h6-17,28H,18H2,1-5H3/b27-17+
InChIKeyXUKSUBDEELYDQU-WPWMEQJKSA-N
MW418.54 g/mol
LogP6.03
Rot. Bonds8

About N-[(E)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxyaniline

N-[(E)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxyaniline (PubChem CID 110508917) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[(E)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxyaniline.

Molecular Properties

Compound NameN-[(E)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxyaniline
PubChem CID110508917
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC NameN-[(E)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxyaniline
SMILESCOc1ccc(N/N=C/c2ccc(OCc3ccc(C(C)(C)C)cc3)c(OC)c2)cc1
InChIInChI=1S/C26H30N2O3/c1-26(2,3)21-9-6-19(7-10-21)18-31-24-15-8-20(16-25(24)30-5)17-27-28-22-11-13-23(29-4)14-12-22/h6-17,28H,18H2,1-5H3/b27-17+
InChIKeyXUKSUBDEELYDQU-WPWMEQJKSA-N
XLogP6.03
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 4662120
N-[(E)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-methoxyaniline
CID 110508914
N-[[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline
CID 169382404
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxyaniline
CID 110508899
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3,4-dimethylaniline
CID 110841045
N-[(Z)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 110514701
N-[(E)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-methoxybenzamide
CID 110505817
3,4-dichloro-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110840463
N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110340184
N-[[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]aniline
CID 169384243
4-fluoro-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110506224
N-[[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-(trifluoromethyl)aniline
CID 110841858

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxyaniline?
The IUPAC name of N-[(E)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxyaniline (CID 110508917) is N-[(E)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxyaniline.
What is the SMILES notation for N-[(E)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxyaniline?
The canonical SMILES for N-[(E)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxyaniline is COc1ccc(N/N=C/c2ccc(OCc3ccc(C(C)(C)C)cc3)c(OC)c2)cc1.
What is the InChIKey of N-[(E)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxyaniline?
The InChIKey is XUKSUBDEELYDQU-WPWMEQJKSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-26(2,3)21-9-6-19(7-10-21)18-31-24-15-8-20(16-25(24)30-5)17-27-28-22-11-13-23(29-4)14-12-22/h6-17,28H,18H2,1-5H3/b27-17+.
What are the key properties of N-[(E)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxyaniline?
N-[(E)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxyaniline has a molecular weight of 418.54 g/mol, XLogP of 6.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxyaniline is sourced from PubChem (CID 110508917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).